High-pressure structural phase transitions in CuWO4

Abstract

We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and lattice-dynamics calculations. Experiments provide evidence that a structural phase transition takes place at 10 GPa from the low-pressure triclinic phase (P-1) to a monoclinic wolframite-type structure (P2/c). Calculations confirmed this finding and indicate that the phase transformation involves a change in the magnetic order. In addition, the equation of state for the triclinic phase is determined: V0 = 132.8(2) A3, B0 = 139 (6) GPa and = 4. Furthermore, experiments under different stress conditions show that non-hydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO4, B0 = 171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

33 pages, 9 figures, 5 tables

References in corpus (4)

• Pressure-induced alpha-to-omega transition in titanium metal: A systematic study of the effects of uniaxial stress
• Pressure effects on the structural and electronic properties of ABX4 scintillating crystals
• Combined Raman scattering and ab initio investigation of pressure-induced structural phase transitions in the scintillator ZnWO4
• High-pressure phase transitions and compressibility of wolframite-type tungstates

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• Peculiarities of the local structure in new medium- and high-entropy, low-symmetry tungstates
• Revealing the local structure of CuMo${}_{1-x}$W${}_x$O${}_4$ solid solutions by multi-edge X-ray absorption spectroscopy